chempirical

N-Ethyl-N-(2-chloroethyl)aniline

C10H14ClNCAS 92-49-9183.68 g/mol

Open in Covalent MOL file
NCl
Alkyl halideTertiary amine

Properties

Molecular formula
C10H14ClN
Molar mass
183.68 g/mol
Exact mass
183.0815 Da
Melting point
45.5–46.5 °C
Boiling point
251–253 °C
logP
2.75Crippen estimate
Polar surface area
3.2 Ų
H-bond donors / acceptors
0 / 1
Rotatable bonds
4

Identifiers

CAS number
92-49-9
SMILES
CCN(CCCl)c1ccccc1
InChIKey
DBDNQNARCHWMSP-UHFFFAOYSA-N
InChI
InChI=1S/C10H14ClN/c1-2-12(9-8-11)10-6-4-3-5-7-10/h3-7H,2,8-9H2,1H3

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Names and synonyms

6 names
  • Benzenamine, N-(2-chloroethyl)-N-ethyl-
  • Aniline, N-(2-chloroethyl)-N-ethyl-
  • N-(2-Chloroethyl)-N-ethylbenzenamine
  • N-(2-Chloroethyl)-N-ethylaniline
  • Ethyl(chloroethyl)aniline
  • 2-(N-Ethylanilino)ethyl chloride

Work with N-Ethyl-N-(2-chloroethyl)aniline

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Boiling point under vacuumAt any pressure, from its normal boiling point Isotope patternExact mass and the mass spectrum pattern

Similar compounds

N-(2-Chloroethyl)-N-ethyl-3-methylbenzenamine22564-43-869 % similar Diethylaniline91-66-768 % similar 2-(Ethylphenylamino)ethanol92-50-263 % similar 3-(Ethylphenylamino)propanenitrile148-87-861 % similar 4-[(2-Chloroethyl)ethylamino]benzaldehyde2643-07-459 % similar Ethylbenzylaniline92-59-157 % similar N-Ethyl-N-phenyl-β-alanine methyl ester21608-06-050 % similar Solvent yellow 562481-94-948 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Same formula

1,2,3,4-Tetrahydro-1-naphthylamine hydrochloride49800-23-9

Elsewhere

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